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Chemical ID: 7145538

Chemical ID:

7145538

Name [?]:

[2-(1H-indol-3-yl)-1-(isobutylcarbamoyl)ethyl]ammonium

SMILES [?]:

CC(C)CNC(=O)C(Cc1c[nH]c2c1cccc2)[NH3+]

InChi [?]:

InChI=1/C15H21N3O/c1-10(2)8-18-15(19)13(16)7-11-9-17-14-6-4-3-5-12(11)14/h3-6,9-10,13,17H,7-8,16H2,1-2H3,(H,18,19)/p+1

InChi Info:

AuxInfo=1/1/N:1,3,16,17,15,18,9,4,11,2,10,14,8,13,6,19,12,5,7/E:(1,2)/rA:19cCCCCNCOCCCCNCCCCCCN+/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;d10;s11;s12;s10s13;d14;s15;d16;d13s17;s8;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₂N₃O+
All Atoms:	41
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	-27.1679
Area:	475.63
Solvation:	-39.0586
Coulombic:	11.1901

Bond Count [?]

All:	20
Single:	15
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	260.355
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	1.73
LogP (Chemaxon):	2.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value